In-Silico Structure Database (LMISSD)
Common Name
PE(14:1(9Z)/22:6(4Z,7Z,9E,13Z,16Z,19Z)(11OH))
Systematic Name
1-(9Z-tetradecenoyl)-2-(11-HDoHE)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP20029AKY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
749.463172
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoethanolamines [GP2002]
String Representations
InChiKey (Click to copy)
RPHBKZHTKXRIBL-UEFBFTBJSA-N
InChi (Click to copy)
InChI=1S/C41H68NO9P/c1-3-5-7-9-11-13-14-16-20-24-28-32-40(44)48-36-39(37-50-52(46,47)49-35-34-42)51-41(45)33-29-25-21-17-19-23-27-31-38(43)30-26-22-18-15-12-10-8-6-4-2/h6,8-9,11-12,15,19,21-23,25-27,31,38-39,43H,3-5,7,10,13-14,16-18,20,24,28-30,32-37,42H2,1-2H3,(H,46,47)/b8-6-,11-9-,15-12-,23-19-,25-21-,26-22-,31-27+/t38?,39-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CC/C=C\C/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCC)=O